n-(4-Methyl-2-nitrophenyl)glycine

Base Information

• Chemical Name: n-(4-Methyl-2-nitrophenyl)glycine
• CAS No.: 62573-36-8
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.1867
• NSC Number: 158989
• DSSTox Substance ID: DTXSID50303538
• Wikidata: Q82048883
• Mol file: 62573-36-8.mol

Synonyms:n-(4-methyl-2-nitrophenyl)glycine;62573-36-8;N-[4-Methyl-2-nitrophenyl]glycine;NSC158989;SCHEMBL11463783;DTXSID50303538;STDUAJYOFXORNK-UHFFFAOYSA-N;NSC-158989;(4-Methyl-2-nitroanilino)acetic acid #

Chemical Property of n-(4-Methyl-2-nitrophenyl)glycine

Chemical Property:

• Vapor Pressure: 6.09E-09mmHg at 25°C
• Boiling Point: 451.5°C at 760 mmHg
• Flash Point: 226.9°C
• Density: 1.418g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NCC(=O)O)[N+](=O)[O-]

Technology Process of n-(4-Methyl-2-nitrophenyl)glycine

There total 4 articles about n-(4-Methyl-2-nitrophenyl)glycine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 67.0%

N-cyanomethyl-4-methyl-2-nitroaniline (118807-87-7) → N-(4-methyl-2-nitro-phenyl)-glycine (62573-36-8)

Guidance literature:

With sulfuric acid; In acetic acid; at 100 ℃; for 2.5h;

Reference yield:

4-methyl-2-nitroaniline (89-62-3) → N-(4-methyl-2-nitro-phenyl)-glycine (62573-36-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / cc. sulphuric acid, ZnCl₂ / acetic acid

2: 67 percent / aq. sulphuric acid / acetic acid / 2.5 h / 100 °C

With sulfuric acid; zinc(II) chloride; In acetic acid;

Reference yield:

bromoacetic acid (79-08-3) + 4-methyl-2-nitroaniline (89-62-3) → N-(4-methyl-2-nitro-phenyl)-glycine (62573-36-8)

Guidance literature:

at 120 - 130 ℃;

upstream raw materials:

bromoacetic acid

4-methyl-2-nitroaniline

N-cyanomethyl-4-methyl-2-nitroaniline

Downstream raw materials:

2-chloro-7-methylquinoxaline

5-methyl-benzimidazole 3-oxide

N-acetyl-N-(4-methyl-2-nitrophenyl)-glycine

5-methyl-1,3-dihydro-2H-benzimidazol-2-one